Geometry & MOs

Info

ID:	80943
PubChem CID:	49854008
Reduced:	N3O4C23H31 (1)
Stoich.:	A3B4C23D31 (1)
Weight, g/mol:	538.260291
ΔH_f, kcal/mol:	-139.33
Dipole, Da:	6.45
IP(EA), eV:	-8.71(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2,5-difluoro-4-[4-(1-propan-2-yloxycarbonylpiperidin-4-yl)oxyiminopiperidin-1-yl]phenyl]morpholin-2-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)OC(=O)N1CCC(CC1)ON=C2CCN(CC2)C3=CC4=C(C=C3)C(=O)CC4

DOS

IR

Vibrations